1-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-5-hydroxy-3H-indol-2-one

C23H25FN2O3 — CID 58172371

IUPAC1-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-5-hydroxy-3H-indol-2-one
SMILESO=C(c1ccc(F)cc1)C1CCN(CCCN2C(=O)Cc3cc(O)ccc32)CC1
InChIInChI=1S/C23H25FN2O3/c24-19-4-2-16(3-5-19)23(29)17-8-12-25(13-9-17)10-1-11-26-21-7-6-20(27)14-18(21)15-22(26)28/h2-7,14,17,27H,1,8-13,15H2
InChIKeyJNCUGVGAVXMWKF-UHFFFAOYSA-N
MW396.46 g/mol
LogP3.41
Rot. Bonds6

About 1-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-5-hydroxy-3H-indol-2-one

1-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-5-hydroxy-3H-indol-2-one (PubChem CID 58172371) has the molecular formula C23H25FN2O3 and a molecular weight of 396.46 g/mol. Its IUPAC name is 1-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-5-hydroxy-3H-indol-2-one.

Molecular Properties

Compound Name1-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-5-hydroxy-3H-indol-2-one
PubChem CID58172371
Molecular FormulaC23H25FN2O3
Molecular Weight396.46 g/mol
Exact Mass396.18
IUPAC Name1-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-5-hydroxy-3H-indol-2-one
SMILESO=C(c1ccc(F)cc1)C1CCN(CCCN2C(=O)Cc3cc(O)ccc32)CC1
InChIInChI=1S/C23H25FN2O3/c24-19-4-2-16(3-5-19)23(29)17-8-12-25(13-9-17)10-1-11-26-21-7-6-20(27)14-18(21)15-22(26)28/h2-7,14,17,27H,1,8-13,15H2
InChIKeyJNCUGVGAVXMWKF-UHFFFAOYSA-N
XLogP3.41
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.46
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-3H-indol-2-one
CID 58172370
(4-fluorophenyl)-(1-propylpiperidin-4-yl)methanone
CID 21322169
[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-(4-fluorophenyl)methanone
CID 14968317
3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-6-hydroxy-1,3-benzothiazol-2-one
CID 19437850
4-[4-(4-fluorobenzoyl)piperidin-1-yl]-1-(2,3,5,6-tetradeuterio-4-fluorophenyl)butan-1-one
CID 71749765
2-[4-[4-(4-fluorobenzoyl)piperidin-1-yl]butyl]-5-methyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 23037304
5,6-dichloro-3-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-1H-benzimidazol-2-one
CID 21424827
1-[3-(4-benzhydryloxypiperidin-1-yl)propyl]-5-fluoro-3H-indol-2-one
CID 22158363
3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-6-hydroxy-1H-quinazoline-2,4-dione;hydrate;hydrochloride
CID 70436834
(4-chlorophenyl)-[1-[6-(2,5-difluorophenyl)hexyl]piperidin-4-yl]methanone
CID 142018842
[1-[3-(benzimidazol-1-yl)propyl]piperidin-4-yl]-(4-fluorophenyl)methanone
CID 54135393
6-chloro-3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 10895255

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-5-hydroxy-3H-indol-2-one?
The IUPAC name of 1-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-5-hydroxy-3H-indol-2-one (CID 58172371) is 1-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-5-hydroxy-3H-indol-2-one.
What is the SMILES notation for 1-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-5-hydroxy-3H-indol-2-one?
The canonical SMILES for 1-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-5-hydroxy-3H-indol-2-one is O=C(c1ccc(F)cc1)C1CCN(CCCN2C(=O)Cc3cc(O)ccc32)CC1.
What is the InChIKey of 1-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-5-hydroxy-3H-indol-2-one?
The InChIKey is JNCUGVGAVXMWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O3/c24-19-4-2-16(3-5-19)23(29)17-8-12-25(13-9-17)10-1-11-26-21-7-6-20(27)14-18(21)15-22(26)28/h2-7,14,17,27H,1,8-13,15H2.
What are the key properties of 1-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-5-hydroxy-3H-indol-2-one?
1-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-5-hydroxy-3H-indol-2-one has a molecular weight of 396.46 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-5-hydroxy-3H-indol-2-one is sourced from PubChem (CID 58172371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).